SCHEMBL11246499

SCHEMBL11246499

CCCCCCc1nccc2c(CC#N)cccc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
KCNH2 Q12809 2/20 0.36
TSHR P16473 2/20 0.35
HSD17B10 Q99714 1/20 0.35
LIPG Q9Y5X9 1/20 0.34
TLR8 Q9NR97 2/20 0.33
BID P55957 3/20 0.33
MCL1 Q07820 3/20 0.33
KAT8 Q9H7Z6 3/20 0.33
BCL2L1 Q07817 2/20 0.33
BAK1 Q16611 2/20 0.33
EP300 Q09472 2/20 0.33
KAT5 Q92993 2/20 0.33
KDM4E B2RXH2 1/20 0.33
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33
KAT2A Q92830 1/20 0.33
KAT2B Q92831 1/20 0.33
SAE1 Q9UBE0 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11262866 0.89 PDE3B (0.38) TSHRKDM4ELMNA
SCHEMBL11264323 0.83 PDE3B (0.36) KDM4E
SCHEMBL11257122 0.78 ALDH1A1 (0.46) TDP1HSD17B10BIDMCL1KAT8
SCHEMBL11257186 0.77 PDE3B (0.40) KDM4E
SCHEMBL11261670 0.72 ALDH1A1 (0.45) TDP1L3MBTL1TSHRHSD17B10BID
SCHEMBL27262159 0.72 LIPG (0.53) KCNH2TSHRHSD17B10LIPGBID
SCHEMBL11258743 0.72 ALDH1A1 (0.32)
SCHEMBL11257770 0.71
SCHEMBL4058130 0.71 CYP2A6 (0.46) TDP1L3MBTL1KCNH2TSHRTLR8
SCHEMBL1067311 0.71 CYP2A6 (0.46) TDP1L3MBTL1KCNH2TSHRTLR8

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4337256-A ANTIINFLAMMATORY AGENTS; ANTIAGGLOMERANTS; ENZYME INHIBITORS; ANTIULCER AGENTS TEIKOKU HORMONE MANUFACTURING CO., LTD. (JP) 1982-06-29 US disclosed
EP-0013411-A1 Isoquinoline derivatives, process for their preparation and pharmaceutical compositions containing them TEIKOKU HORMONE MFG. CO., LTD. (JP) 1980-07-23 EP disclosed